[4-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(2-methoxy-2-oxidanylidene-ethyl)-methyl-azanium

Systemtic Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(2-methoxy-2-oxidanylidene-ethyl)-methyl-azanium Openeye Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-(2-methoxy-2-oxo-ethyl)-methyl-ammonium CAS Name: [4-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-methoxy-2-oxoethyl)-methylammonium IUPAC Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-methoxy-2-oxoethyl)-methylazanium Traditional Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-(2-keto-2-methoxy-ethyl)-methyl-ammonium Formula: C22H38N2O5+2 MolecularWeight: 410.54752

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OCC(C[NH+]2CCCCCCC2)O)OC)CC(=O)OC

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCCCCCC2)O)OC)CC(=O)OC

InChI

InChI=1S/C22H36N2O5/c1-23(16-22(26)28-3)14-18-9-10-20(21(13-18)27-2)29-17-19(25)15-24-11-7-5-4-6-8-12-24/h9-10,13,19,25H,4-8,11-12,14-17H2,1-3H3/p+2/t19-/m1/s1